4-bromo-N-(2-chloroethyl)-2-methylbenzamide

C10H11BrClNO — CID 61287065

IUPAC4-bromo-N-(2-chloroethyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCCCl
InChIInChI=1S/C10H11BrClNO/c1-7-6-8(11)2-3-9(7)10(14)13-5-4-12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyPLJHUOJXQKYJJT-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.73
Rot. Bonds3

About 4-bromo-N-(2-chloroethyl)-2-methylbenzamide

4-bromo-N-(2-chloroethyl)-2-methylbenzamide (PubChem CID 61287065) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 4-bromo-N-(2-chloroethyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloroethyl)-2-methylbenzamide
PubChem CID61287065
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name4-bromo-N-(2-chloroethyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCCCl
InChIInChI=1S/C10H11BrClNO/c1-7-6-8(11)2-3-9(7)10(14)13-5-4-12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyPLJHUOJXQKYJJT-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-bromobutyl)-2-methylbenzamide
CID 114312653
4-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364523
4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484
4-bromo-N-(4-chloropentyl)-2-methylbenzamide
CID 106129866
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494
5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142
2-[2-[(4-bromo-2-methylbenzoyl)amino]ethylsulfanyl]acetic acid
CID 119242602
4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide
CID 106157759
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
CID 47257656
4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 107233720
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloroethyl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(2-chloroethyl)-2-methylbenzamide (CID 61287065) is 4-bromo-N-(2-chloroethyl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloroethyl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2-chloroethyl)-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NCCCl.
What is the InChIKey of 4-bromo-N-(2-chloroethyl)-2-methylbenzamide?
The InChIKey is PLJHUOJXQKYJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-7-6-8(11)2-3-9(7)10(14)13-5-4-12/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 4-bromo-N-(2-chloroethyl)-2-methylbenzamide?
4-bromo-N-(2-chloroethyl)-2-methylbenzamide has a molecular weight of 276.56 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloroethyl)-2-methylbenzamide is sourced from PubChem (CID 61287065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).